Geometry & MOs

Info

ID:	211419
PubChem CID:	80946811
Reduced:	ClN3C17H22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	369.02435
ΔH_f, kcal/mol:	26.24
Dipole, Da:	4.25
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-5-methoxyphenyl)-2-tert-butyl-6-chloropyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)Cl)N(C)CCC2=CC=CC=C2

DOS

IR

Vibrations